SCHEMBL10113433

SCHEMBL10113433

C=C(OC)C1=C(C)NC(=O)NC1c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.54
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.49
TP53 P04637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GUSB P08236 1/20 0.47
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KIF11 P52732 1/20 0.46
EGFR P00533 1/20 0.46
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13420122 0.86 CTDSP1 (0.67) CTDSP1THRBALDH1A1TP53KDM4E
SCHEMBL19732961 0.82 USP2 (0.58) CTDSP1THRBALDH1A1TP53KDM4E
SCHEMBL10279779 0.82 USP2 (0.58) CTDSP1THRBALDH1A1TP53KDM4E
SCHEMBL14413867 0.82 ALDH1A1 (0.70) ALDH1A1TP53GAAL3MBTL1KIF11
SCHEMBL29506643 0.82 ALDH1A1 (0.70) ALDH1A1TP53GAAL3MBTL1KIF11
SCHEMBL19752615 0.82 ALDH1A1 (0.70) ALDH1A1TP53GAAL3MBTL1KIF11
SCHEMBL19752617 0.76 ALDH1A1 (0.53) CTDSP1ALDH1A1GAAKIF11
SCHEMBL2829814 0.72 TDP1 (0.54) CTDSP1ALDH1A1KDM4EGAAKMT2A
SCHEMBL2567097 0.70 GRK2 (0.77)
SCHEMBL19752674 0.70 USP2 (0.71) THRBALDH1A1KDM4EGUSBUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 CTDSP1 3440/4885THRB 4409/4885ALDH1A1 540/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.